1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorononane

• ChemBase编号: 100851
• 分子式: C9HF19
• 平均质量: 470.0739008
• 单一同位素质量: 469.97748621
• SMILES: FC(F)(F)C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(C(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C9HF19/c10-1(11)2(12,13)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)28/h1H
• InChIKey: CUNIPPSHVAZKID-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorononane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorononane
• 别名: 1H-Perfluorononane 98%

登记号

• CAS号: 375-94-0
• MDL号: MFCD08458171
• PubChem SID: 162086687
• PubChem CID: 527536

理论计算性质

• Acid pKa: 19.78678
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.497456
• LogD (pH = 7.4): 6.497456
• Log P: 6.497456
• 摩尔折射率: 44.6555 cm^3
• 极化性: 18.010044 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 138°C

安全信息

• 保存注意事项: Irritant